5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene

C23H27O5P — CID 12730348

IUPAC5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene
SMILESCOP12(OC(c3ccccc3)=CC=C(c3ccccc3)O1)OC(C)(C)C(C)(C)O2
InChIInChI=1S/C23H27O5P/c1-22(2)23(3,4)28-29(24-5,27-22)25-20(18-12-8-6-9-13-18)16-17-21(26-29)19-14-10-7-11-15-19/h6-17H,1-5H3
InChIKeyIJSIALATJAYPNJ-UHFFFAOYSA-N
MW414.44 g/mol
LogP6.49
Rot. Bonds3

About 5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene

5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene (PubChem CID 12730348) has the molecular formula C23H27O5P and a molecular weight of 414.44 g/mol. Its IUPAC name is 5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene.

Molecular Properties

Compound Name5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene
PubChem CID12730348
Molecular FormulaC23H27O5P
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC Name5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene
SMILESCOP12(OC(c3ccccc3)=CC=C(c3ccccc3)O1)OC(C)(C)C(C)(C)O2
InChIInChI=1S/C23H27O5P/c1-22(2)23(3,4)28-29(24-5,27-22)25-20(18-12-8-6-9-13-18)16-17-21(26-29)19-14-10-7-11-15-19/h6-17H,1-5H3
InChIKeyIJSIALATJAYPNJ-UHFFFAOYSA-N
XLogP6.49
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene?
The IUPAC name of 5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene (CID 12730348) is 5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene.
What is the SMILES notation for 5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene?
The canonical SMILES for 5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene is COP12(OC(c3ccccc3)=CC=C(c3ccccc3)O1)OC(C)(C)C(C)(C)O2.
What is the InChIKey of 5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene?
The InChIKey is IJSIALATJAYPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27O5P/c1-22(2)23(3,4)28-29(24-5,27-22)25-20(18-12-8-6-9-13-18)16-17-21(26-29)19-14-10-7-11-15-19/h6-17H,1-5H3.
What are the key properties of 5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene?
5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene has a molecular weight of 414.44 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2,3,3-tetramethyl-7,10-diphenyl-1,4,6,11-tetraoxa-5lambda5-phosphaspiro[4.6]undeca-7,9-diene is sourced from PubChem (CID 12730348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).